hex-1-en-2-yl N,N-diethylcarbamate

C11H21NO2 — CID 121217462

IUPAChex-1-en-2-yl N,N-diethylcarbamate
SMILESC=C(CCCC)OC(=O)N(CC)CC
InChIInChI=1S/C11H21NO2/c1-5-8-9-10(4)14-11(13)12(6-2)7-3/h4-9H2,1-3H3
InChIKeyWRLDKLCMMBXMNC-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.17
Rot. Bonds6

About hex-1-en-2-yl N,N-diethylcarbamate

hex-1-en-2-yl N,N-diethylcarbamate (PubChem CID 121217462) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is hex-1-en-2-yl N,N-diethylcarbamate.

Molecular Properties

Compound Namehex-1-en-2-yl N,N-diethylcarbamate
PubChem CID121217462
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namehex-1-en-2-yl N,N-diethylcarbamate
SMILESC=C(CCCC)OC(=O)N(CC)CC
InChIInChI=1S/C11H21NO2/c1-5-8-9-10(4)14-11(13)12(6-2)7-3/h4-9H2,1-3H3
InChIKeyWRLDKLCMMBXMNC-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

dodec-1-en-2-yl hydrogen carbonate
CID 87655862
2-henicos-1-en-2-yloxyhenicos-1-ene
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CID 161216399
3-methylideneoctan-4-one
CID 11815902
(1,1-difluoro-3-oxopent-1-en-2-yl) N,N-diethylcarbamate
CID 24978052
dec-1-en-2-yl 2,2,2-trifluoroacetate
CID 50900896
N-butyl-N-ethylpentanamide
CID 4629847
2-methylhex-1-ene
CID 158402499
dipentanoyl hexanedioate
CID 174373362
carboxy 2-methylidenehexanoate
CID 170167153
2-methylidene-N,N-dipropylhexanamide
CID 87269108
ethyl (Z)-3-(diethylcarbamoyloxy)hex-2-enoate
CID 102494924

Frequently Asked Questions

What is the IUPAC name of hex-1-en-2-yl N,N-diethylcarbamate?
The IUPAC name of hex-1-en-2-yl N,N-diethylcarbamate (CID 121217462) is hex-1-en-2-yl N,N-diethylcarbamate.
What is the SMILES notation for hex-1-en-2-yl N,N-diethylcarbamate?
The canonical SMILES for hex-1-en-2-yl N,N-diethylcarbamate is C=C(CCCC)OC(=O)N(CC)CC.
What is the InChIKey of hex-1-en-2-yl N,N-diethylcarbamate?
The InChIKey is WRLDKLCMMBXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-8-9-10(4)14-11(13)12(6-2)7-3/h4-9H2,1-3H3.
What are the key properties of hex-1-en-2-yl N,N-diethylcarbamate?
hex-1-en-2-yl N,N-diethylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-2-yl N,N-diethylcarbamate is sourced from PubChem (CID 121217462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).